(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

C21H16N4O2 — CID 155806220

IUPAC(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccccc34)no2)c2ccccc21
InChIInChI=1S/C21H16N4O2/c1-24-11-15(13-7-3-5-9-17(13)24)19(26)21-22-20(23-27-21)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyUIYVHJCHLVJCQP-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.95
Rot. Bonds3

About (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 155806220) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID155806220
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccccc34)no2)c2ccccc21
InChIInChI=1S/C21H16N4O2/c1-24-11-15(13-7-3-5-9-17(13)24)19(26)21-22-20(23-27-21)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyUIYVHJCHLVJCQP-UHFFFAOYSA-N
XLogP3.95
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (CID 155806220) is (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is Cn1cc(C(=O)c2nc(-c3cn(C)c4ccccc34)no2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is UIYVHJCHLVJCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-24-11-15(13-7-3-5-9-17(13)24)19(26)21-22-20(23-27-21)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3.
What are the key properties of (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 155806220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).